1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine

C9H23N3 — CID 63700411

IUPAC1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(C)CCN(C)CC(C)(C)N
InChIInChI=1S/C9H23N3/c1-9(2,10)8-12(5)7-6-11(3)4/h6-8,10H2,1-5H3
InChIKeyRCZNSGBSKPNEBF-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.22
Rot. Bonds5

About 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine

1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 63700411) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID63700411
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(C)CCN(C)CC(C)(C)N
InChIInChI=1S/C9H23N3/c1-9(2,10)8-12(5)7-6-11(3)4/h6-8,10H2,1-5H3
InChIKeyRCZNSGBSKPNEBF-UHFFFAOYSA-N
XLogP0.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N'-Bis(2-methyl-2-butyl)-ethylenediamine
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1,2-Propanediamine, N(sup 2)-butyl-2-methyl-
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(2-Amino-2-methylpropyl)dimethylamine
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(2-Aminoethyl)dipropylamine
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Bis(2-amino-2-methylpropyl)amine
CID 226845
(2-(Tert-butylamino)ethyl)dimethylamine
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1-Ethyl-3,3-dimethylpiperazine
CID 56924066
1-Tert-butyl-3,3-dimethylpiperazine
CID 57665743
N'-(1,1-dimethylpropyl)-N-isopropyl-ethane-1,2-diamine
CID 469914

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine (CID 63700411) is 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine is CN(C)CCN(C)CC(C)(C)N.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is RCZNSGBSKPNEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-9(2,10)8-12(5)7-6-11(3)4/h6-8,10H2,1-5H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 63700411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).